ethyl 4-[5-(2-acetamidopyridin-4-yl)-4-(4-fluorophenyl)-2-methylsulfanyl-imidazol-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[5-(2-acetamidopyridin-4-yl)-4-(4-fluorophenyl)-2-methylsulfanyl-imidazol-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-(2-acetamido-4-pyridyl)-4-(4-fluorophenyl)-2-methylsulfanyl-imidazol-1-yl]piperidine-1-carboxylate CAS Name: 4-[5-(2-acetamido-4-pyridinyl)-4-(4-fluorophenyl)-2-(methylthio)-1-imidazolyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(2-acetamidopyridin-4-yl)-4-(4-fluorophenyl)-2-methylsulfanylimidazol-1-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(2-acetamido-4-pyridyl)-4-(4-fluorophenyl)-2-(methylthio)imidazol-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C25H28FN5O3S MolecularWeight: 497.584923

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(=C(N=C2SC)C3=CC=C(C=C3)F)C4=CC(=NC=C4)NC(=O)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C(=C(N=C2SC)C3=CC=C(C=C3)F)C4=CC(=NC=C4)NC(=O)C

InChI

InChI=1S/C25H28FN5O3S/c1-4-34-25(33)30-13-10-20(11-14-30)31-23(18-9-12-27-21(15-18)28-16(2)32)22(29-24(31)35-3)17-5-7-19(26)8-6-17/h5-9,12,15,20H,4,10-11,13-14H2,1-3H3,(H,27,28,32)